Vitas-M small molecule compound
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
Catalog ID
STK928344
SMILES O=C(N1CCN(CC1)C(=O)c1ccc2c(c1)OCCCO2)CCc1c[nH]c2c1cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c29-24(9-7-19-17-26-21-5-2-1-4-20(19)21)27-10-12-28(13-11-27)25(30)18-6-8-22-23(16-18)32-15-3-14-31-22/h1-2,4-6,8,16-17,26H,3,7,9-15H2InChIKey
PJNZTXWXVQFZRW-UHFFFAOYSA-NSynonyms
1190294-94-01(4(34dihydro2H15benzodioxepin7ylcarbonyl)piperazin1yl)3(1Hindol3yl)propan1one
1(4(34dihydro2H15benzodioxepine7carbonyl)piperazin1yl)3(1Hindol3yl)propan1one
1(4(34dihydro2Hbenzo(b)(14)dioxepine7carbonyl)piperazin1yl)3(1Hindol3yl)propan1one
1190294940
C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CCC4=CNC5=CC=CC=C54)OC1
InChI=1SC25H27N3O4c2924(9719172621521420(19)21)27101228(131127)25(30)18682223(1618)32153143122h12468161726H37915H2
MFCD13758377
O=C(N1CCN(CC1)C(=O)c1ccc2c(c1)OCCCO2)CCc1c(nH)c2c1cccc2
ZINC000036358974
ZINC36358974
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